2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one

C21H21N3O2 — CID 75459961

IUPAC2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
SMILESCCn1nc(C(=O)N2CCCC2c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H21N3O2/c1-2-24-20(25)17-12-7-6-11-16(17)19(22-24)21(26)23-14-8-13-18(23)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3
InChIKeyNVEWFAKXCDNFBU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.39
Rot. Bonds3

About 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one

2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one (PubChem CID 75459961) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
PubChem CID75459961
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
SMILESCCn1nc(C(=O)N2CCCC2c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H21N3O2/c1-2-24-20(25)17-12-7-6-11-16(17)19(22-24)21(26)23-14-8-13-18(23)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3
InChIKeyNVEWFAKXCDNFBU-UHFFFAOYSA-N
XLogP3.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
CID 94637107
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
CID 41059504
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 41080458
4-methyl-2-[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 39976417
4-(2-benzylpyrrolidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51337923
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
1-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433439
2-[1-(3-methyl-4-oxophthalazine-1-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 167924124
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one (CID 75459961) is 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one is CCn1nc(C(=O)N2CCCC2c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one?
The InChIKey is NVEWFAKXCDNFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-24-20(25)17-12-7-6-11-16(17)19(22-24)21(26)23-14-8-13-18(23)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3.
What are the key properties of 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one?
2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one has a molecular weight of 347.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 75459961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).